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High Resolution Infrared Studies of the Ņ2, Ņ4 Bands of 34S 16O3 Including Both Intensity and Wavenumber Perturbations

Published

Author(s)

J Barber, Tony Masiello, E T. Chrysostom, J Nibler, A G. Maki, A Weber, Thomas A. Blake, R L. Sams

Abstract

The infrared spectrum of the Ņ2, Ņ4 bending mode region of 34S-substituted sulfur trioxide, 34S 16O3, has been recorded at a resolution of 0.0025 cm-1. The Ņ2 and Ņ4 levels are coupled by a Coriolis interaction, yielding significant spectral shifts that have been successfully analyzed to obtain rovibrational constants for the ground state and both fundamentals. Comparisons are made with 32S16O3 parameters and the Bo rotational constant is found to be 0.348 556 04 (28) cm-1, only very slightly larger than the corresponding value of 0.348 543 33(5) cm-1 for 32S16O3. Coriolis and l-type resonance interactions between the Ņ2 and Ņ4 levels produce frequency shifts and strong intensity perturbations in the spectra that are considered for both 34S16O3. The resulting analysis yields an average value of 0.62(8) for the dipole derivative ratio({differential} x{differential}{quanternary}4x)/({differential} z/{differential}{quanternary}2) and a positive sign for the product of this ratio with the ζy2,4 Coriolis constant, for which experiment gives 0.5940(15). Ab initio calculations indicate that the signs of {differential} x{differential}{quanternary}4x and {differential} z/{differential}{quanternary}2 are both positive and hence ζy2,4 is also positive, in agreement with earlier calculations. These signs indicate that the effective charge movement in the xz plane has the same sense of rotation as {quanternary} 2, {quanternary} 4x atom motion in this plane that produces a py vibrational angular momentum component, correlated motion that is confirmed by ab initio calculations.
Citation
Journal of Molecular Spectroscopy
Volume
218
Issue
No. 2

Keywords

infrared, spectrum, sulfur-34, surfur trioxide

Citation

Barber, J. , Masiello, T. , Chrysostom, E. , Nibler, J. , Maki, A. , Weber, A. , Blake, T. and Sams, R. (2003), High Resolution Infrared Studies of the &#325;2, &#325;4 Bands of <sup>34</sup>S <sup>16</sup>O<sub>3</sub> Including Both Intensity and Wavenumber Perturbations, Journal of Molecular Spectroscopy (Accessed June 21, 2024)

Issues

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Created April 1, 2003, Updated February 17, 2017